SCHEMBL3589250

SCHEMBL3589250

O=C(O)CC[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.52
CTSL P07711 1/20 0.52
PTPN13 Q12923 1/20 0.52
MMP2 P08253 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CCKBR P32239 1/20 0.48
MAPK14 Q16539 1/20 0.46
PADI6 Q6TGC4 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2247862 0.88 CCKBR (0.51) PTPRCCTSLPTPN13CCKBR
SCHEMBL2247265 0.87 MMP2 (0.63) PTPRCCTSLPTPN13MMP2MEN1
SCHEMBL2247337 0.86 CCKBR (0.52) PTPRCCTSLPTPN13CCKBR
SCHEMBL3584703 0.85 CCKBR (0.49) MMP2CCKBRPADI6
SCHEMBL3578615 0.84 MMP2 (0.49) MMP2CCKBRPADI6
SCHEMBL2249422 0.83 HPGDS (0.59) PTPRCCTSLPTPN13ALDH1A1MEN1
SCHEMBL3576509 0.83 ADAMTS5 (0.62) CTSLMMP2CCKBR
SCHEMBL3587576 0.83 CCKBR (0.51) ALDH1A1MEN1HPGDKMT2ACCKBR
SCHEMBL3583969 0.82 PADI6 (0.64) MMP2CCKBRPADI6
SCHEMBL2247747 0.82 KDM1A (0.53) MMP2HSD17B10CCKBR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 PTPRC 2656/4885CTSL 294/4885PTPN13 4366/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PTPRC 2656/4885CTSL 294/4885PTPN13 4366/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.